SCHEMBL17467152

SCHEMBL17467152

COc1nc(N)ccc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRA4 P48169 3/20 0.33
GABRE P78334 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17467128 0.78 GABRP (0.39) MEN1KMT2ANOS1NOS3HTT
SCHEMBL16227532 0.78 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1CD274PDCD1
SCHEMBL18422978 0.76 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1KDM4E
SCHEMBL17467131 0.75 SLC13A5 (0.37) MEN1KMT2AHTTL3MBTL1KDM4E
SCHEMBL15544881 0.71 CD274 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5645549 0.70 ALDH1A1 (0.42) KDM4EHSD17B10POLBALDH1A1TSHR
SCHEMBL17467146 0.70 ACLY (0.39) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL1845830 0.70 MEN1 (0.52) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL15544883 0.69 GABRP (0.39) MEN1KMT2AL3MBTL1KDM4EGABRP
SCHEMBL2340705 0.69 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed